N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide

C24H48N2O6 — CID 90290747

IUPACN-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
SMILESCC(C)(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NC(C)(C)C
InChIInChI=1S/C24H48N2O6/c1-23(2,3)11-8-7-9-21(27)25-12-14-30-16-18-32-20-19-31-17-15-29-13-10-22(28)26-24(4,5)6/h7-20H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyKQMHMVQLKCVRGH-UHFFFAOYSA-N
MW460.66 g/mol
LogP3.08
Rot. Bonds19

About N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide

N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide (PubChem CID 90290747) has the molecular formula C24H48N2O6 and a molecular weight of 460.66 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
PubChem CID90290747
Molecular FormulaC24H48N2O6
Molecular Weight460.66 g/mol
Exact Mass460.35
IUPAC NameN-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide
SMILESCC(C)(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NC(C)(C)C
InChIInChI=1S/C24H48N2O6/c1-23(2,3)11-8-7-9-21(27)25-12-14-30-16-18-32-20-19-31-17-15-29-13-10-22(28)26-24(4,5)6/h7-20H2,1-6H3,(H,25,27)(H,26,28)
InChIKeyKQMHMVQLKCVRGH-UHFFFAOYSA-N
XLogP3.08
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.66
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
N-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethyl]-4-(12,12-dimethyltridecanoylamino)-N'-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropyl]heptanediamide
CID 170095237
N-[2-[2-[3-(2,2-dimethylpropylsulfanyl)propanoylamino]ethoxy]ethyl]-7,7-dimethyloctanamide
CID 135193572
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-[2-(2-methoxyethoxy)ethyl]-4,4-dimethylpentanamide
CID 139430629
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-propan-2-ylsulfonylpropanamide
CID 167584800
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
3-[2-[2-[2-[8-[3-[3-[3-[[7-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-7-oxoheptyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]octanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146548060
N,N'-ditert-butylhexanediamide
CID 3593481

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide?
The IUPAC name of N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide (CID 90290747) is N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide.
What is the SMILES notation for N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide?
The canonical SMILES for N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide is CC(C)(C)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide?
The InChIKey is KQMHMVQLKCVRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O6/c1-23(2,3)11-8-7-9-21(27)25-12-14-30-16-18-32-20-19-31-17-15-29-13-10-22(28)26-24(4,5)6/h7-20H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide?
N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide has a molecular weight of 460.66 g/mol, XLogP of 3.08, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[3-(tert-butylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6,6-dimethylheptanamide is sourced from PubChem (CID 90290747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).